Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Cadaverine Tartrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 19/20 | 0.55 |
| ▸ | ADRA1D known ✓ | P25100 | 16/20 | 0.46 |
| ▸ | ADRA1B known ✓ | P35368 | 16/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7640674 | 0.96 | ADRA1A (0.59) | ADRA1AADRA1DADRA1BMCHR1DRD2 | |
| Hydrochloric Acid SCHEMBL6787204 | 0.89 | ADRA1A (0.58) | ADRA1AADRA1DADRA1B | |
| SCHEMBL6729949 | 0.88 | ADRA1A (0.63) | ADRA1AADRA1DADRA1BMCHR1DRD2 | |
| SCHEMBL6710985 | 0.88 | ADRA1A (0.71) | ADRA1AADRA1DADRA1BMCHR1DRD2 | |
| Hydrochloric Acid SCHEMBL6848930 | 0.87 | ADRA1A (0.70) | ADRA1AADRA1DADRA1BMCHR1DRD2 | |
| Cadaverine Tartrate SCHEMBL8142759 | 0.87 | ADRA1A (0.61) | ADRA1AADRA1DADRA1BMCHR1DRD2 | |
| Cadaverine Tartrate SCHEMBL8136242 | 0.85 | ADRA1A (0.52) | ADRA1AADRA1DADRA1B | |
| SCHEMBL6782417 | 0.84 | ADRA1A (0.63) | ADRA1AADRA1DADRA1BMCHR1DRD2 | |
| Hydrochloric Acid SCHEMBL6782753 | 0.83 | ADRA1A (0.51) | ADRA1AADRA1DADRA1B | |
| SCHEMBL6787228 | 0.83 | ADRA1A (0.58) | ADRA1AADRA1DADRA1BMCHR1DRD2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6410554-B1 | ADRENERGIC ANTAGONIST | MERCK & CO., INC. | 2002-06-25 | — | — | US | disclosed |
| US-6320049-B1 | PREPARING 1-AMINOCARBONYL-5-ACYLDEHYDROPYRIMIDONES BY DEPROTONATING 5-ACYLDIHYDROPYRIMIDINONES COMPOUND AND THEN COUPLING THE DEPROTONATED DERIVATIVE WITH A PRIMARY AMINE | MERCK & CO., INC. | 2001-11-20 | — | — | US | disclosed |
| US-6207444-B1 | CONTACTING RACEMIC COMPOUND WITH PROTEINASE K, SUBTILISIN, OR A PROTEASE ENZYME FROM METARHIZIUM TO FORM ENANTIOMORPH; CHEMICAL INTERMEDIATE OF DRUG WHICH TREATS BENIGN PROSTATIC HYPERPLASIA | MERCK & CO., INC. | 2001-03-27 | — | — | US | disclosed |