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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.50 |
| ▸ | MPO | P05164 | 5/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
| ▸ | ITGAL | P20701 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 2/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL735716 | 0.89 | HTR2A (0.62) | HTR2AMPOTRPM8HTR1AKMT2A | |
| Ammonia Solution, Strong SCHEMBL736177 | 0.86 | IDO1 (0.39) | HTR2AHTR1AIDO1ITGB2ICAM1 | |
| Cadaverine Tartrate SCHEMBL736824 | 0.85 | RECQL (0.43) | IDO1ITGB2ICAM1ITGALTDO2 | |
| SCHEMBL1399332 | 0.80 | MPO (0.62) | HTR2AMPOTRPM8HTR1AKMT2A | |
| SCHEMBL3190247 | 0.80 | HTR2A (0.50) | HTR2AMPOTRPM8HTR1AKMT2A | |
| SCHEMBL4632232 | 0.80 | HTR2A (0.65) | HTR2AMPOTRPM8HTR1AKMT2A | |
| SCHEMBL3190980 | 0.78 | HTR2A (0.51) | HTR2AMPOTRPM8HTR1AKMT2A | |
| SCHEMBL4632768 | 0.78 | HTR2A (0.47) | HTR2AMPOTRPM8HTR1AKMT2A | |
| SCHEMBL736880 | 0.78 | IDO1 (0.49) | HTR2AHTR1AIDO1TDO2GPR84 | |
| SCHEMBL757235 | 0.78 | IDO1 (0.52) | HTR2AHTR1AIDO1TDO2GPR84 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8138220-B2 | [2-(6-fluoro-1H-indol-3-ylsulfanyl)benzyl]methyl amine for the treatment of affective disorders | H. LUNDBECK A/S (DK) | 2012-03-20 | — | — | US | claimed |