Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL11851019

CN(CC(O)COc1ccccc1OCc1ccccc1)CC(O)Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.50

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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 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 4/20 0.43
▸ LDHA P00338 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TNF P01375 1/20 0.40
▸ HSD17B10 Q99714 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.

Compoundsimilaritytop predictedshared targets
Cadaverine Tartrate SCHEMBL11841907 0.91 ADORA2B (0.40) ADORA2BLDHARXFP1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11872388 0.86 HTR2A (0.45) ADORA2BRXFP1MAPK1LMNASMN1; SMN2
Cadaverine Tartrate SCHEMBL11848587 0.84 KMT2A (0.46) RXFP1SMN1; SMN2
Hydrochloric Acid SCHEMBL11847930 0.81 RXFP1 (0.64) ADORA2BLDHARXFP1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11849779 0.77 RXFP1 (0.54) ADORA2BLDHARXFP1LMNASMN1; SMN2
Cadaverine Tartrate SCHEMBL11840590 0.76 KMT2A (0.43) SMN1; SMN2
Hydrochloric Acid SCHEMBL11852085 0.76 CNOT7 (0.46) RXFP1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11851640 0.75 TSHR (0.53) ADORA2BLDHARXFP1LMNASMN1; SMN2
Cadaverine Tartrate SCHEMBL11853045 0.75 TSHR (0.49) ADORA2BRXFP1MAPK1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11851457 0.74 RXFP1 (0.59) ADORA2BLDHARXFP1LMNASMN1; SMN2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3998953-A 1,3,7-Trisubstitued xanthine peripheral vasodilators BOEHRINGER INGELHEIM GMBH (DT) 1976-12-21 — — US disclosed
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