Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL11848587

CCn1cnc2c1c(=O)n(CC(O)CN(C)CC(O)COc1ccccc1OCc1ccccc1)c(=O)n2CC.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.46

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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 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.46
▸ CNOT7 Q9UIV1 5/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ USP2 O75604 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 SCHEMBL11840590 0.92 KMT2A (0.43) KMT2ACNOT7MEN1POLBALDH1A1
Hydrochloric Acid SCHEMBL11852085 0.90 CNOT7 (0.46) KMT2ACNOT7MEN1ALDH1A1SMN1; SMN2
SCHEMBL11855033 0.85 CNOT7 (0.48) KMT2ACNOT7MEN1RXFP1
Hydrochloric Acid SCHEMBL11852871 0.85 CNOT7 (0.47) KMT2ACNOT7MEN1RXFP1
Cadaverine Tartrate SCHEMBL11851019 0.84 ADORA2B (0.43) SMN1; SMN2RXFP1
SCHEMBL11843030 0.82 CNOT7 (0.44) KMT2ACNOT7MEN1POLBALDH1A1
Hydrochloric Acid SCHEMBL11851840 0.81 CNOT7 (0.48) KMT2ACNOT7MEN1RXFP1
Hydrochloric Acid SCHEMBL11846176 0.80 CNOT7 (0.47) KMT2ACNOT7MEN1RXFP1
Hydrochloric Acid SCHEMBL11847930 0.78 RXFP1 (0.64) POLBALDH1A1SMN1; SMN2KDM4ERXFP1
Cadaverine Tartrate SCHEMBL11841907 0.77 ADORA2B (0.40) KMT2AMEN1POLBSMN1; SMN2NPSR1

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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